Tm6Zn2Au
Alexandria ALEXAlex-ID: agm005804696 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_730_spg71
Tm2Zn Tm2Au
2023-07-10 16:41:34.223811
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005804696).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
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# CIF generated by HEAS from Alexandria entry agm005804696
data_agm005804696
_cell_length_a 8.36250
_cell_length_b 8.36249
_cell_length_c 8.36249
_cell_angle_alpha 109.01757
_cell_angle_beta 110.84912
_cell_angle_gamma 108.55614
_cell_volume 449.97650
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Tm1 Tm 0.55748 0.73480 0.82267 1.00000
Tm2 Tm 0.44252 0.26520 0.17733 1.00000
Tm3 Tm 0.08787 0.26520 0.82267 1.00000
Tm4 Tm 0.91213 0.73480 0.17733 1.00000
Tm5 Tm 0.80474 0.74857 0.55332 1.00000
Tm6 Tm 0.19526 0.25143 0.44668 1.00000
Tm7 Tm 0.19526 0.74857 0.94383 1.00000
Tm8 Tm 0.80474 0.25143 0.05617 1.00000
Tm9 Tm 0.71786 0.39380 0.67594 1.00000
Tm10 Tm 0.28214 0.60620 0.32406 1.00000
Tm11 Tm 0.28214 0.95809 0.67594 1.00000
Tm12 Tm 0.71786 0.04191 0.32405 1.00000
Zn1 Zn 0.50000 0.37234 0.87234 1.00000
Zn2 Zn 0.50000 0.62766 0.12766 1.00000
Zn3 Zn 0.63668 1.00000 0.63668 1.00000
Zn4 Zn 0.36332 0.00000 0.36332 1.00000
Au1 Au 0.00000 0.50000 0.50000 1.00000
Au2 Au 0.00000 0.00000 0.00000 1.00000
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